| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 18 | Yes |
Popular Name: (3S)-1-[(1R,2S)-2-amino-1-(3-pyridyl)propyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(1R,2S)-2-amino-1-(3-pyr…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.04 | 3.81 | -92.5 | 4 | 4 | 2 | 48 | 250.39 | 4 | ↓ |
| Hi High (pH 8-9.5) | 0.04 | 1.02 | -3.42 | 2 | 4 | 0 | 45 | 248.374 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.04 | 1.41 | -39.55 | 3 | 4 | 1 | 47 | 249.382 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.04 | 4.33 | -171.48 | 5 | 4 | 3 | 49 | 251.398 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
